| SpectraBase Compound ID | CTrFImUWVpi |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-13(2,3)11(16)8-14(18)9-6-4-5-7-10(9)15-12(14)17/h4-7,18H,8H2,1-3H3,(H,15,17) |
| InChIKey | JWDUMWNFXPKAJN-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HkwKmqSnhp |
|---|---|
| Name | 3-(3,3-Dimethyl-2-oxobutyl)-3-hydroxy-2-indolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-13(2,3)11(16)8-14(18)9-6-4-5-7-10(9)15-12(14)17/h4-7,18H,8H2,1-3H3,(H,15,17) |
| InChIKey | JWDUMWNFXPKAJN-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C12=C(C=CC=C2)NC(C1(CC(C(C)(C)C)=O)O)=O |